N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine

C22H22NP — CID 5260199

IUPACN-(3-diphenylphosphanylpropyl)-1-phenylmethanimine
SMILESC(=N/CCCP(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H22NP/c1-4-11-20(12-5-1)19-23-17-10-18-24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2/b23-19+
InChIKeyJLDWFVLAIWSBPW-FCDQGJHFSA-N
MW331.40 g/mol
LogP4.63
Rot. Bonds7

About N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine

N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine (PubChem CID 5260199) has the molecular formula C22H22NP and a molecular weight of 331.40 g/mol. Its IUPAC name is N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine.

Molecular Properties

Compound NameN-(3-diphenylphosphanylpropyl)-1-phenylmethanimine
PubChem CID5260199
Molecular FormulaC22H22NP
Molecular Weight331.40 g/mol
Exact Mass331.15
IUPAC NameN-(3-diphenylphosphanylpropyl)-1-phenylmethanimine
SMILESC(=N/CCCP(c1ccccc1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C22H22NP/c1-4-11-20(12-5-1)19-23-17-10-18-24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2/b23-19+
InChIKeyJLDWFVLAIWSBPW-FCDQGJHFSA-N
XLogP4.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine?
The IUPAC name of N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine (CID 5260199) is N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine.
What is the SMILES notation for N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine?
The canonical SMILES for N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine is C(=N/CCCP(c1ccccc1)c1ccccc1)\c1ccccc1.
What is the InChIKey of N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine?
The InChIKey is JLDWFVLAIWSBPW-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H22NP/c1-4-11-20(12-5-1)19-23-17-10-18-24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,19H,10,17-18H2/b23-19+.
What are the key properties of N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine?
N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine has a molecular weight of 331.40 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-diphenylphosphanylpropyl)-1-phenylmethanimine is sourced from PubChem (CID 5260199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).